U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H45NO9
Molecular Weight 551.6689
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMINE 3-ACETATE

SMILES

C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@@]56O[C@@]7(O)[C@@H](C[C@@H](O)[C@H]5[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O)[C@]6(C)CC[C@@H]7OC(C)=O

InChI

InChIKey=RJGRAIZFACFDSU-HADMUKOZSA-N
InChI=1S/C29H45NO9/c1-13-5-6-19-26(4,35)21-15(12-30(19)11-13)16-10-27-23(28(16,36)24(34)22(21)33)17(32)9-18-25(27,3)8-7-20(38-14(2)31)29(18,37)39-27/h13,15-24,32-37H,5-12H2,1-4H3/t13-,15-,16-,17+,18-,19-,20-,21+,22+,23+,24-,25-,26+,27+,28-,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GERMINE 3-ACETATE
MI  
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-ACETATE, (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
Preferred Name English
GERMINE 3-ACETATE [MI]
Common Name English
GERMINE 3-MONOACETATE
Common Name English
Code System Code Type Description
FDA UNII
QX9T554GAT
Created by admin on Mon Mar 31 17:52:36 GMT 2025 , Edited by admin on Mon Mar 31 17:52:36 GMT 2025
PRIMARY
CAS
23239-27-2
Created by admin on Mon Mar 31 17:52:36 GMT 2025 , Edited by admin on Mon Mar 31 17:52:36 GMT 2025
PRIMARY
MERCK INDEX
m5716
Created by admin on Mon Mar 31 17:52:36 GMT 2025 , Edited by admin on Mon Mar 31 17:52:36 GMT 2025
PRIMARY Merck Index
PUBCHEM
76968837
Created by admin on Mon Mar 31 17:52:36 GMT 2025 , Edited by admin on Mon Mar 31 17:52:36 GMT 2025
PRIMARY